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Using a coarse molecular-dynamics (CMD) approach with an appropriate choice of coarse variable (order parameter), we map the underlying effective free-energy landscape for the melting of a crystalline solid. Implementation of this approach…

Materials Science · Physics 2009-11-11 Miguel A. Amat , Ioannis G. Kevrekidis , Dimitrios Maroudas

The chemical fueling of transient states (CFTS) is a powerful process to control the nonequilibrium structuring and the homeostatic function of adaptive soft matter systems. Here, we introduce a mean-field model of CFTS based on the…

Soft Condensed Matter · Physics 2023-06-12 Sven Pattloch , Joachim Dzubiella

Chemical kinetics plays an important role in governing the thermal evolution in reactive flows problems. The possible interactions between chemical species increase drastically with the number of species considered in the system. Various…

Instrumentation and Methods for Astrophysics · Physics 2022-07-18 Kwok Sun Tang , Matthew Turk

Reaction systems are discrete dynamical systems inspired by bio-chemical processes, whose dynamical behaviour is expressed by set-theoretic operations on finite sets. Reaction systems thus provide a description of bio-chemical phenomena…

Formal Languages and Automata Theory · Computer Science 2020-08-05 Alberto Dennunzio , Enrico Formenti , Luca Manzoni , Antonio E. Porreca

Computational fluid dynamics (CFD) is a powerful tool for modeling turbulent flow and is commonly used for urban microclimate simulations. However, traditional CFD methods are computationally intensive, requiring substantial hardware…

Control-based continuation (CBC) is a general and systematic method to explore the dynamic response of a physical system and perform bifurcation analysis directly during experimental tests. Although CBC has been successfully demonstrated on…

Dynamical Systems · Mathematics 2024-11-05 Hamed Rezaee , Ludovic Renson

We present a kinetic Monte Carlo method for simulating chemical transformations specified by reaction rules, which can be viewed as generators of chemical reactions, or equivalently, definitions of reaction classes. A rule identifies the…

Quantitative Methods · Quantitative Biology 2010-07-09 Jin Yang , Michael I. Monine , James R. Faeder , William S. Hlavacek

Understanding the flow behavior of complex concentrated slurries is of tremendous importance for industrial waste management. In this study, the transport of three-phase oil sands tailings in a horizontal pipeline is simulated via the…

Fluid Dynamics · Physics 2025-07-17 Mohsen Sadeghi , Somasekhara Goud Sontti , Enzu Zheng , Xuehua Zhang

We consider the basic features of complex dynamical and control systems. Special attention is paid to the problems of synthesis of dynamical models of complex systems, construction of efficient control models, and to the development of…

Computational Engineering, Finance, and Science · Computer Science 2009-07-03 Armen Bagdasaryan

The rapidly advancing field of Fluid Mechanics has recently employed Deep Learning to solve various problems within that field. In that same spirit we try to perform Direct Numerical Simulation(DNS) which is one of the tasks in…

Neural and Evolutionary Computing · Computer Science 2022-05-27 Mritunjay Musale , Vaibhav Vasani

The method of distributions is developed for systems that are governed by hyperbolic conservation laws with stochastic forcing. The method yields a deterministic equation for the cumulative density distribution (CDF) of a system state,…

Computational Physics · Physics 2019-09-05 Rik J. L. Rutjens , Gustaaf B. Jacobs , Daniel M. Tartakovsky

The stochastic simulation of biological systems is an increasingly popular technique in bioinformatics. It often is an enlightening technique, which may however result in being computational expensive. We discuss the main opportunities to…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-17 Marco Aldinucci , Mario Coppo , Ferruccio Damiani , Maurizio Drocco , Massimo Torquati , Angelo Troina

The system decomposition theory has recently been developed for the dynamic analysis of nonlinear compartmental systems. The application of this theory to the ecosystem analysis has also been introduced in a separate article. Based on this…

Systems and Control · Computer Science 2020-11-24 Huseyin Coskun

This work aims to introduce a heuristic timestep-adaptive algorithm for Computational Fluid Dynamics (CFD) and Fluid-Structure Interaction (FSI) problems where the flow is dominated by the pressure. In such scenarios, many time-adaptive…

Numerical Analysis · Mathematics 2024-07-02 Ivan Prusak , Davide Torlo , Monica Nonino , Gianluigi Rozza

Airborne pathogen transmission mechanisms play a key role in the spread of infectious diseases such as COVID-19. In this work, we propose a computational fluid dynamics (CFD) approach to model and statistically characterize airborne…

Fluid Dynamics · Physics 2023-11-07 Fatih Gulec , Falko Dressler , Andrew W. Eckford

Combining machine learning (ML) with computational fluid dynamics (CFD) opens many possibilities for improving simulations of technical and natural systems. However, CFD+ML algorithms require exchange of data, synchronization, and…

Machine Learning · Computer Science 2024-06-25 Tomislav Maric , Mohammed Elwardi Fadeli , Alessandro Rigazzi , Andrew Shao , Andre Weiner

High-fidelity computational fluid dynamics (CFD) simulations for design space explorations can be exceedingly expensive due to the cost associated with resolving the finer scales. This computational cost/accuracy trade-off is a major…

Fluid Dynamics · Physics 2024-03-14 Peetak Mitra , Majid Haghshenas , Niccolo Dal Santo , Conor Daly , David P. Schmidt

The applicability of computational and dynamical systems models to organisms is scrutinized, using examples from developmental biology and cognition. Developmental morphogenesis is dependent on the inherent material properties of developing…

Neurons and Cognition · Quantitative Biology 2023-10-24 Stuart A. Newman

Computational Fluid Dynamics (CFD) plays a pivotal role in fluid mechanics, enabling precise simulations of fluid behavior through partial differential equations (PDEs). However, traditional CFD methods are resource-intensive, particularly…

Computational Engineering, Finance, and Science · Computer Science 2025-02-06 Tiffany Fan , Murray Cutforth , Marta D'Elia , Alexandre Cortiella , Alireza Doostan , Eric Darve

Patient-specific hemodynamics assessment could support diagnosis and treatment of neurovascular diseases. Currently, conventional medical imaging modalities are not able to accurately acquire high-resolution hemodynamic information that…

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